The newer version requires more memory. Did you try Scott's previous
suggestions in this thread? One worked fine for Filip if I recall correctly
(something having to do with halving the number of expected random numbers).
All the best,
Jason
On Sun, Aug 21, 2011 at 1:13 PM, Dmitry Mukha <dvmukha.gmail.com> wrote:
> 2011/8/21 Ross Walker <ross.rosswalker.co.uk>
>
> >
> >
> > Hence most things in AMBER are mostly tuned for NVT (and NPT) with ntt=1.
> >
> >
> > pmemd.cuda with NTT=3 doesn't work now after recompiling with the new
> patch. older version of amber11/at14 without boosting patch works well on
> GTX285/580. Newer one does not.
>
> ./gpu-local-equil.sh: line 9: 12081 Segmentation fault $cmd
>
> If ntt is switched to 1, all goes fine. There is very scarce information
> about the error in the stderr. It doesn't seem to be connected with memory
> malloc.
>
>
> --
> Sincerely,
> Dmitry Mukha
> Institute of Bioorganic Chemistry, NAS, Minsk, Belarus
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sun Aug 21 2011 - 10:30:03 PDT
